SCHEMBL4098271

SCHEMBL4098271

CCOP(=O)(OCC)C(CC)C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
PPARD Q03181 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13847695 1.00 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL262483 0.81 POLB (0.43) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL28817638 0.81 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL1052265 0.79 POLB (0.40) CYP3A4CYP2C9CYP2C19TDP1GAA
SCHEMBL3107682 0.78 SMPD1 (0.42)
SCHEMBL5100575 0.78 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL24165690 0.77 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL8199890 0.77 GAA (0.44) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL14671697 0.75 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19TP53TDP1
SCHEMBL27816008 0.75 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19TP53TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
US-20050227947-A1 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. 2005-10-13 US disclosed
WO-2004096237-A2 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050227947-A1 Phosphonate analogs for treating metabolic diseases PHOSPHO1, G6PC1, PC CYP3A4 1604/4885CYP2C9 1928/4885CYP2C19 1676/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC CYP3A4 1604/4885CYP2C9 1928/4885CYP2C19 1676/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.